Compound Detail
CHEMBL5629959
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Basic Information
| ChEMBL ID | CHEMBL5629959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCSISVAQAFTARM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
4.02
ALogP
6
HBA
1
HBD
63.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 3 CHEMBL1795199 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 5.09 | 5.09 | 8210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 3 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human recombinant RIPK3 using MBP as substrate preincubated for 15... | 37494773 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 8210.0 | nM | 5.09 | Inhibition of human recombinant RIPK1 using MBP as substrate preincubated for 15... | 37494773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37494773 | 10.1016/j.ejmech.2023.115635 | HT-29 | 6 |
| 37494773 | 10.1016/j.ejmech.2023.115635 | ASPC1 | 4 |
| 37494773 | 10.1016/j.ejmech.2023.115635 | Mixed lineage kinase domain-like protein | 3 |
| 37494773 | 10.1016/j.ejmech.2023.115635 | Mus musculus | 3 |
| 37494773 | 10.1016/j.ejmech.2023.115635 | U-937 | 3 |
| 37494773 | 10.1016/j.ejmech.2023.115635 | Receptor-interacting serine/threonine-protein kinase 1 | 2 |
| 37494773 | 10.1016/j.ejmech.2023.115635 | Receptor-interacting serine/threonine-protein kinase 3 | 1 |
| 37494773 | 10.1016/j.ejmech.2023.115635 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine